1-butyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopyridazine-3-carboxamide

C16H25N3O3 — CID 111445848

IUPAC1-butyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCC2(O)CCCCC2)ccc1=O
InChIInChI=1S/C16H25N3O3/c1-2-3-11-19-14(20)8-7-13(18-19)15(21)17-12-16(22)9-5-4-6-10-16/h7-8,22H,2-6,9-12H2,1H3,(H,17,21)
InChIKeyHZAUEMAABXDCKH-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.47
Rot. Bonds6

About 1-butyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopyridazine-3-carboxamide

1-butyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 111445848) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-butyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID111445848
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-butyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCC2(O)CCCCC2)ccc1=O
InChIInChI=1S/C16H25N3O3/c1-2-3-11-19-14(20)8-7-13(18-19)15(21)17-12-16(22)9-5-4-6-10-16/h7-8,22H,2-6,9-12H2,1H3,(H,17,21)
InChIKeyHZAUEMAABXDCKH-UHFFFAOYSA-N
XLogP1.47
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-Hydroxy-4-methylcyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one
CID 109394027
2-[(1-Hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one
CID 109394046
N-[2,2-difluoro-2-(1-hydroxycyclohexyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 138022375
N-[(1-hydroxycyclopentyl)methyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 49754476
N-[(1-hydroxycyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 49754465
N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55082506
1-butyl-N-(cyclohexylmethyl)-6-oxopyridazine-3-carboxamide
CID 60419065
N-[1-(hydroxymethyl)cyclohexyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62519875
1-butyl-N-[(1-hydroxycyclopentyl)methyl]-6-oxopyridazine-3-carboxamide
CID 64176693
N-[(1-hydroxycyclopentyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 64176702
N-[(1-hydroxycyclopentyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 64178422
N-[(1-hydroxycycloheptyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 64459508

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopyridazine-3-carboxamide (CID 111445848) is 1-butyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NCC2(O)CCCCC2)ccc1=O.
What is the InChIKey of 1-butyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is HZAUEMAABXDCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-2-3-11-19-14(20)8-7-13(18-19)15(21)17-12-16(22)9-5-4-6-10-16/h7-8,22H,2-6,9-12H2,1H3,(H,17,21).
What are the key properties of 1-butyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopyridazine-3-carboxamide?
1-butyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 111445848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).